1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide

C23H32N4O2 — CID 46490232

IUPAC1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nn1C(C)(C)C
InChIInChI=1S/C23H32N4O2/c1-16(2)20-15-19(25-27(20)23(3,4)5)22(29)26-13-11-17(12-14-26)21(28)24-18-9-7-6-8-10-18/h6-10,15-17H,11-14H2,1-5H3,(H,24,28)
InChIKeyLKAGQZTZEKIZQJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.25
Rot. Bonds4

About 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 46490232) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID46490232
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nn1C(C)(C)C
InChIInChI=1S/C23H32N4O2/c1-16(2)20-15-19(25-27(20)23(3,4)5)22(29)26-13-11-17(12-14-26)21(28)24-18-9-7-6-8-10-18/h6-10,15-17H,11-14H2,1-5H3,(H,24,28)
InChIKeyLKAGQZTZEKIZQJ-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 53499150
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 56560382
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 46490232) is 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide is CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is LKAGQZTZEKIZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(2)20-15-19(25-27(20)23(3,4)5)22(29)26-13-11-17(12-14-26)21(28)24-18-9-7-6-8-10-18/h6-10,15-17H,11-14H2,1-5H3,(H,24,28).
What are the key properties of 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46490232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).